BDBM50206083 CHEMBL3927658::US10968198, Example 43

SMILES: OC(=O)CCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1

InChI Key: InChIKey=LRNISQSDGNCOPP-UHFFFAOYSA-N

Data: 3 KI  1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50206083   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Macrophage migration inhibitory factor (MIF) (Homo sapiens (Human))	BDBM50206083 (CHEMBL3927658 | US10968198, Example 43) Show SMILES OC(=O)CCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C21H17FN4O4/c22-16-11-14(4-8-20(16)27)26-12-19(24-25-26)18-6-3-13-10-15(5-7-17(13)23-18)30-9-1-2-21(28)29/h3-8,10-12,27H,1-2,9H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University US Patent					Assay Description Data obtained for the Example compounds, obtained using the methods described in Example B.				US Patent US10968198 (2021)
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (MIF) (Homo sapiens (Human))	BDBM50206083 (CHEMBL3927658 | US10968198, Example 43) Show SMILES OC(=O)CCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C21H17FN4O4/c22-16-11-14(4-8-20(16)27)26-12-19(24-25-26)18-6-3-13-10-15(5-7-17(13)23-18)30-9-1-2-21(28)29/h3-8,10-12,27H,1-2,9H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as borate-enol complex formation using 4-hydroxypheny...				ACS Med Chem Lett 8: 124-127 (2017) Article DOI: 10.1021/acsmedchemlett.6b00451 BindingDB Entry DOI: 10.7270/Q2GQ70S5
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (MIF) (Homo sapiens (Human))	BDBM50206083 (CHEMBL3927658 | US10968198, Example 43) Show SMILES OC(=O)CCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C21H17FN4O4/c22-16-11-14(4-8-20(16)27)26-12-19(24-25-26)18-6-3-13-10-15(5-7-17(13)23-18)30-9-1-2-21(28)29/h3-8,10-12,27H,1-2,9H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity expressed in Escherichia coli assessed as decrease in formation of borate complex of enol pr...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair
Macrophage migration inhibitory factor (MIF) (Homo sapiens (Human))	BDBM50206083 (CHEMBL3927658 | US10968198, Example 43) Show SMILES OC(=O)CCCOc1ccc2nc(ccc2c1)-c1cn(nn1)-c1ccc(O)c(F)c1 Show InChI InChI=1S/C21H17FN4O4/c22-16-11-14(4-8-20(16)27)26-12-19(24-25-26)18-6-3-13-10-15(5-7-17(13)23-18)30-9-1-2-21(28)29/h3-8,10-12,27H,1-2,9H2,(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of recombinant human MIF tautomerase activity assessed as decrease in formation of borate complex of enol product using 4-HPP as substrate...				ACS Med Chem Lett 8: 1287-1291 (2017) Article DOI: 10.1021/acsmedchemlett.7b00384 BindingDB Entry DOI: 10.7270/Q2GB26JT
					More data for this Ligand-Target Pair